Articles with "functional theoretical" as a keyword



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Density functional theoretical studies on electronic structural, optical and oxidation properties of thioxylated peptides

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Published in 2017 at "Theoretical Chemistry Accounts"

DOI: 10.1007/s00214-017-2157-0

Abstract: Thioxylated peptide bond in simple dipeptides and tripeptides is found to amend the structural, optical and redox properties of the same relying on the position of substitution (N- and C-terminals). The electronic structural investigations show… read more here.

Keywords: structural optical; density functional; functional theoretical; theoretical studies ... See more keywords